CID 140846178

2014373-97-6

Structural Information

Molecular Formula
C13H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3(C2)CCC3
InChI
InChI=1S/C13H21BO2/c1-11(2)12(3,4)16-14(15-11)10-8-13(9-10)6-5-7-13/h8H,5-7,9H2,1-4H3
InChIKey
CCIOQQUXWBMDKV-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-spiro[3.3]hept-2-en-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17075 133.4
[M+Na]+ 243.15269 139.2
[M-H]- 219.15619 143.6
[M+NH4]+ 238.19729 144.2
[M+K]+ 259.12663 144.3
[M+H-H2O]+ 203.16073 124.5
[M+HCOO]- 265.16167 150.1
[M+CH3COO]- 279.17732 200.1
[M+Na-2H]- 241.13814 140.1
[M]+ 220.16292 151.4
[M]- 220.16402 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe